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Chemical ID: 6874768
Chemical ID:
6874768
Name [?]:
2-(2-chlorophenyl)-3-[(4-fluorophenyl)methoxy]-6-methyl-chromen-4-one
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCc4ccc(cc4)F
InChi [?]:
InChI=1/C23H16ClFO3/c1-14-6-11-20-18(12-14)21(26)23(27-13-15-7-9-16(25)10-8-15)22(28-20)17-4-2-3-5-19(17)24/h2-12H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,14,17,3,23,27,24,26,4,7,21,2,22,25,13,6,18,5,8,11,10,19,28,9,20,12/E:(7,8)(9,10)/rA:28nCCCCCCCCOCCOCCCCCCClOCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s18;s10;s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H16ClFO3 |
All Atoms: | 44 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4397 |
Area: | 567.141 |
Solvation: | -3.73885 |
Coulombic: | -32.9681 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 394.822 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.8 |
LogP (Chemaxon): | 6.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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